Analysis and evaluation of channel models: simulations of alamethicin.

Journal article

Alamethicin is an antimicrobial peptide that forms stable channels with well-defined conductance levels. We have used extended molecular dynamics simulations of alamethicin bundles consisting of 4, 5, 6, 7, and 8 helices in a palmitoyl-oleolyl-phosphatidylcholine bilayer to evaluate and analyze channel models and to link the models to the experimentally measured conductance levels. Our results suggest that four helices do not form a stable water-filled channel and might not even form a stable...

Expand abstract

Authors: Tieleman, D; Hess, B; Sansom, MS

• Publication status: Published
• Journal: Biophysical journal
• Volume: 83
• Issue: 5
• Pages: 2393-2407
• Publication date: 2002-11-01
• DOI: 10.1016/s0006-3495(02)75253-3
• EISSN: 1542-0086
• ISSN: 0006-3495
• Language: English
• Keywords: Peptides; Anti-Infective Agents; Computer Simulation; Phosphatidylcholines; Potassium Chloride; Hydrogen-Ion Concentration; Pressure; Static Electricity; Biophysical Phenomena; Algorithms; Membrane Potentials; Calcium; Alamethicin; Lipid Bilayers; Calcium Channels; Biophysics; Protein Structure, Secondary; Temperature; Time Factors